Chem
J-GLOBAL ID:200907026587454970   Nikkaji number:J2.242.949C

2,6-Bis[4-(hexyloxy)phenyl]-3,7-diiodobenzo[1,2-b:4,5-b′]dithiophene

2,6-ビス[4-(ヘキシルオキシ)フェニル]-3,7-ジヨードベンゾ[1,2-b:4,5-b′]ジチオフェン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C34H36I2O2S2
Molecular formula furigana: C34-H36-I2-O2-S2
Molecular weight: 794.590
InChI: InChI=1S/C34H36I2O2S2/c1-3-5-7-9-19-37-25-15-11-23(12-16-25)33-31(35)27-21-30-28(22-29(27)39-33)32(36)34(40-30)24-13-17-26(18-14-24)38-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3
InChI key: LFCCYFKUEZRAPG-UHFFFAOYSA-N
SMILES: CCCCCCOc1ccc(cc1)c1sc2cc3c(I)c(sc3cc2c1I)c1ccc(OCCCCCC)cc1
Systematic name  (3):
  • 2,6-ビス[4-(ヘキシルオキシ)フェニル]-3,7-ジヨードベンゾ[1,2-b:4,5-b′]ジチオフェン
  • 5,11-ビス[4-(ヘキシルオキシ)フェニル]-6,12-ジヨード-4,10-ジチアトリシクロ[7.3.0.03,7]ドデカ-1,3(7),5,8,11-ペンタエン
  • 5,11-bis[4-(hexyloxy)phenyl]-6,12-diiodo-4,10-dithiatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene
Other name (1):
  • 2,6-Bis[4-(hexyloxy)phenyl]-3,7-diiodobenzo[1,2-b:4,5-b′]dithiophene
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